3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide

C15H19N3O3 — CID 110744092

IUPAC3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ncc[nH]2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-20-12-5-3-11(9-13(12)21-2)4-6-15(19)18-10-14-16-7-8-17-14/h3,5,7-9H,4,6,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAWAODDPBQITPNQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.68
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide (PubChem CID 110744092) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
PubChem CID110744092
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ncc[nH]2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-20-12-5-3-11(9-13(12)21-2)4-6-15(19)18-10-14-16-7-8-17-14/h3,5,7-9H,4,6,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAWAODDPBQITPNQ-UHFFFAOYSA-N
XLogP1.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081519
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 95727216
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110742436
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide (CID 110744092) is 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide is COc1ccc(CCC(=O)NCc2ncc[nH]2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The InChIKey is AWAODDPBQITPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-12-5-3-11(9-13(12)21-2)4-6-15(19)18-10-14-16-7-8-17-14/h3,5,7-9H,4,6,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 110744092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).